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6S17

Crystal Structure of DYRK1A with small molecule inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004712molecular_functionprotein serine/threonine/tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
A0046777biological_processprotein autophosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue SO4 A 501
ChainResidue
ASER169
ALYS193
ALYS194
AHOH668
AHOH689
AHOH792

site_idAC2
Number of Residues4
Detailsbinding site for residue SO4 A 502
ChainResidue
AHOH803
ALYS264
AARG300
ASER301

site_idAC3
Number of Residues8
Detailsbinding site for residue SO4 A 503
ChainResidue
AASN144
AGLY168
ASER169
ALYS191
ALYS193
ALYS481
AHOH636
AHOH663

site_idAC4
Number of Residues10
Detailsbinding site for residue EDO A 504
ChainResidue
AGLN199
AGLN199
AILE202
AILE202
ATYR319
ATYR319
AHOH620
AHOH620
AHOH661
AHOH661

site_idAC5
Number of Residues7
Detailsbinding site for residue EDO A 505
ChainResidue
ATHR466
AARG467
AILE468
AGLN469
ATYR472
AHOH682
AHOH774

site_idAC6
Number of Residues4
Detailsbinding site for residue EDO A 506
ChainResidue
APRO337
AASP339
APRO464
ALYS465

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 507
ChainResidue
AVAL376
ALYS422
ALEU423
AHIS424

site_idAC8
Number of Residues2
Detailsbinding site for residue EDO A 508
ChainResidue
AALA382
AHIS383

site_idAC9
Number of Residues5
Detailsbinding site for residue EDO A 509
ChainResidue
ALYS175
AMET240
AHOH658
AHOH682
AHOH774

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 510
ChainResidue
AMET240
ALEU241
ACYS296
AHOH686

site_idAD2
Number of Residues8
Detailsbinding site for residue KQK A 511
ChainResidue
AILE165
APHE170
AALA186
ALYS188
APHE238
AGLU239
ALEU241
AHOH709

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGKGSFGQVVkAydrveqew..........VAIK
ChainResidueDetails
AILE165-LYS188

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHcDLKpeNILL
ChainResidueDetails
AILE283-LEU295

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000305|PubMed:23665168
ChainResidueDetails
AASP287

site_idSWS_FT_FI2
Number of Residues3
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
AILE165
ALYS188
APHE238

site_idSWS_FT_FI3
Number of Residues6
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:23665168
ChainResidueDetails
ATYR140
ATYR159
ATYR177
ATYR319
APTR321
ATYR449

site_idSWS_FT_FI4
Number of Residues1
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:23186163
ChainResidueDetails
ATYR145

site_idSWS_FT_FI5
Number of Residues1
DetailsMOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000250|UniProtKB:Q63470
ChainResidueDetails
ATYR219

site_idSWS_FT_FI6
Number of Residues1
DetailsMOD_RES: Phosphoserine; by autocatalysis => ECO:0000269|PubMed:23665168
ChainResidueDetails
ASER310

site_idSWS_FT_FI7
Number of Residues1
DetailsMOD_RES: Phosphothreonine; by autocatalysis => ECO:0000269|PubMed:23665168
ChainResidueDetails
ATHR402

218853

PDB entries from 2024-04-24

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